4-[carboxymethyl-[(E)-5-naphthalen-2-yl-3-phenethyl-pent-4-en-2-yl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid

Systemtic Name: 4-[carboxymethyl-[(E)-5-naphthalen-2-yl-3-phenethyl-pent-4-en-2-yl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid Openeye Name: 4-[carboxymethyl-[(E)-1-methyl-4-(2-naphthyl)-2-phenethyl-but-3-enyl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid CAS Name: 4-[[carboxymethyl-[(E)-5-(2-naphthalenyl)-3-phenethylpent-4-en-2-yl]amino]-oxomethyl]-1,3-dioxolane-2,2-dicarboxylic acid IUPAC Name: 4-[carboxymethyl-[(E)-5-naphthalen-2-yl-3-phenethylpent-4-en-2-yl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid Traditional Name: 4-[carboxymethyl-[(E)-1-methyl-4-(2-naphthyl)-2-phenethyl-but-3-enyl]carbamoyl]-1,3-dioxolane-2,2-dicarboxylic acid Formula: C31H31NO9 MolecularWeight: 561.57914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CC=CC=C1)C=CC2=CC3=CC=CC=C3C=C2)N(CC(=O)O)C(=O)C4COC(O4)(C(=O)O)C(=O)O

Isomeric SMILES

CC(C(CCC1=CC=CC=C1)/C=C/C2=CC3=CC=CC=C3C=C2)N(CC(=O)O)C(=O)C4COC(O4)(C(=O)O)C(=O)O

InChI

InChI=1S/C31H31NO9/c1-20(32(18-27(33)34)28(35)26-19-40-31(41-26,29(36)37)30(38)39)23(14-11-21-7-3-2-4-8-21)15-12-22-13-16-24-9-5-6-10-25(24)17-22/h2-10,12-13,15-17,20,23,26H,11,14,18-19H2,1H3,(H,33,34)(H,36,37)(H,38,39)/b15-12+